1-[(2-methyl-5-propan-2-yl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2-methyl-5-propan-2-yl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(5-isopropyl-2-methyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(2-methyl-5-propan-2-ylphenoxy)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2-methyl-5-propan-2-ylphenoxy)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(5-isopropyl-2-methyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O5/c1-9(2)11-5-4-10(3)13(6-11)23-8-17-7-12(18(21)22)14(16-17)15(19)20/h4-7,9H,8H2,1-3H3,(H,19,20)